BDBM10653 (3S)-5-[(2-CHLORO-6-FLUOROBENZYL)SULFANYL]-3-{[N-({2-ETHOXY-5-[(1E)-3-METHOXY-3-OXOPROP-1-ENYL]PHENYL}ACETYL)-D-VALYL]AMINO}-4-OXOPENTANOIC ACID::(3S)-5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-[(2S)-2-(1-{2-ethoxy-5-[(1E)-3-methoxy-3-oxoprop-1-en-1-yl]phenyl}acetamido)-3-methylbutanamido]-4-oxopentanoic acid::CINNAMIC ACID METHYL ESTER INHIBITOR::Compound 3::valine aspartyl ketone analog 14

SMILES: CCOc1ccc(\C=C\C(=O)OC)cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1c(F)cccc1Cl

InChI Key: InChIKey=BBHZJDWNUYJWFP-UHFFFAOYSA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 10653   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Caspase-3 (Human)	BDBM10653 (Compound 3 | (3S)-5-{[(2-chloro-6-fluorophenyl)met...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7.95	n/a	n/a	n/a	n/a	7.0	37
TBA									Citation and Details
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Caspase-3 (Human)	BDBM10653 (Compound 3 | (3S)-5-{[(2-chloro-6-fluorophenyl)met...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8	n/a	n/a	n/a	n/a	7.0	37
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Caspase-1 (Human)	BDBM10653 (Compound 3 | (3S)-5-{[(2-chloro-6-fluorophenyl)met...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Caspase-7 (Human)	BDBM10653 (Compound 3 | (3S)-5-{[(2-chloro-6-fluorophenyl)met...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
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Caspase-8 (Human)	BDBM10653 (Compound 3 | (3S)-5-{[(2-chloro-6-fluorophenyl)met...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.85E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair